Results for:
PubChem ID: 6998

2-hydroxybenzaldehyde

Compound Details

Synonymous names
SALICYLALDEHYDE
2-Hydroxybenzaldehyde
90-02-8
o-Hydroxybenzaldehyde
o-Formylphenol
Salicylal
2-Formylphenol
Salicylic aldehyde
Salicyladehyde
Benzaldehyde, 2-hydroxy-
Salicylaldehyd
Salizylaldehyd
Benzaldehyde, o-hydroxy-
2-HYDROXY-BENZALDEHYDE
FEMA No. 3004
NSC 49178
CCRIS 7451
HSDB 721
salicylylaldehyde
EINECS 201-961-0
MFCD00003317
UNII-17K64GZH20
BRN 0471388
DTXSID1021792
CHEBI:16008
2-hydroxy benzaldehyde
AI3-02174
17K64GZH20
NSC-49178
CHEMBL108925
DTXCID001792
EC 201-961-0
4-08-00-00176 (Beilstein Handbook Reference)
NSC-83559
NSC-83560
NSC-83561
NSC-83562
NSC-97202
NSC-112278
Benzaldehyde, hydroxy-
salicyl aldehyde
CAS-90-02-8
27761-48-4
2-Hydroxy(formyl-~13~C)benzaldehyde
2-(~2~H)Hydroxy(formyl-~2~H_5_)benzaldehyde
Salicylylal
28777-87-9
hydroxylbenzaldehyde
hydroxy benzaldehyde
Dembrexine Hydrochloride Monohydrate Imp. D (EP); Dembrexine Imp. D (EP); 2-Hydroxybenzaldehyde; Salicylaldehyde; Dembrexine Hydrochloride Monohydrate Impurity
hydroxyl benzaldehyde
2-hyroxy-benzaldehyde
2-oxidanylbenzaldehyde
o-hydroxy benzaldehyde
Salicylaldehyde, 8CI
2- hydroxybenzaldehyde
Benzaldehyde, o-hydroxy
benzaldehyde, 2-hydroxy
WLN: VHR BQ
bmse000677
SALICYLALDEHYDE [MI]
SCHEMBL15395
SALICYLALDEHYDE [FCC]
SALICYLALDEHYDE [FHFI]
SALICYLALDEHYDE [HSDB]
Salicylaldehyde, >=98%, FG
FEMA 3004
Salicylaldehyde, p.a., 99.0%
BCP31374
CS-D1188
NSC49178
Salicylaldehyde, analytical standard
Tox21_201737
Tox21_302929
BDBM50139367
NSC187662
Salicylaldehyde, reagent grade, 98%
STL194289
AKOS000119187
2-hydroxybenzaldehyde (salicylaldehyde)
MCULE-8965879140
NSC-187662
NCGC00249108-01
NCGC00256460-01
NCGC00259286-01
AS-13997
NS00013184
Salicylaldehyde, redist., >=99.0% (GC)
EN300-18033
C06202
H-3700
A843413
Q414492
Z57127523
F2190-0607
2-Hydroxybenzaldehyde;o-Hydroxybenzaldehyde;o-Formylphenol
InChI=1/C7H6O2/c8-5-6-3-1-2-4-7(6)9/h1-5,9
Microorganism:

Yes

IUPAC name2-hydroxybenzaldehyde
SMILESC1=CC=C(C(=C1)C=O)O
InchiInChI=1S/C7H6O2/c8-5-6-3-1-2-4-7(6)9/h1-5,9H
FormulaC7H6O2
PubChem ID6998
Molweight122.12
LogP1.8
Atoms9
Bonds1
H-bond Acceptor2
H-bond Donor1
Chemical Classificationaromatic aldehydes aldehydes aromatic compounds benzenoids benzaldehydes phenols
CHEBI-ID16008
Supernatural-IDSN0349719

mVOC Specific Details

Boiling Point
DegreeReference
197 °C peer reviewed
Volatilization
The Henry's Law constant for 2-hydroxybenzaldehyde is estimated as 5.6X10-6 atm-cu m/mole(SRC) derived from its vapor pressure, 5.93X10-1 mm Hg(1), and water solubility, 1.7X10+4 mg/L(2). This Henry's Law constant indicates that salicylaldehyde is expected to volatilize from water surfaces(3). Based on this Henry's Law constant, the volatilization half-life from a model river (1 m deep, flowing 1 m/sec, wind velocity of 3 m/sec)(3) is estimated as 5 days(SRC). The volatilization half-life from a model lake (1 m deep, flowing 0.05 m/sec, wind velocity of 0.5 m/sec)(3) is estimated as 57 days(SRC). 2-Hydroxybenzaldehyde's estimated Henry's Law constant indicates that volatilization from moist soil surfaces may occur(SRC). The potential for volatilization of salicylaldehyde from dry soil surfaces may exist(SRC) based upon a vapor pressure close to one and the compound exists as an odorous liquid under environmental conditions.
Soil Adsorption
The Koc of 2-hydroxybenzaldehyde is estimated as 73(SRC), using a log Kow of 1.81(1) and a regression-derived equation(2). According to a classification scheme(3), this estimated Koc value suggests that 2-hydroxybenzaldehyde is expected to have high mobility in soil.
Massbank-Links

Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
ProkaryotaShigella SonneiChina Center of Industrial Culture collectionWang et al. 2018
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
ProkaryotaShigella SonneiSodium chloride brothSPME, GC-MSno